(E)-3-(3-ethyl-1-benzofuran-2-yl)but-2-enoic acid

Systemtic Name: (E)-3-(3-ethyl-1-benzofuran-2-yl)but-2-enoic acid Openeye Name: (E)-3-(3-ethylbenzofuran-2-yl)but-2-enoic acid CAS Name: (E)-3-(3-ethyl-2-benzofuranyl)-2-butenoic acid IUPAC Name: (E)-3-(3-ethyl-1-benzofuran-2-yl)but-2-enoic acid Traditional Name: (E)-3-(3-ethylbenzofuran-2-yl)but-2-enoic acid Formula: C14H14O3 MolecularWeight: 230.25916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=CC=CC=C21)C(=CC(=O)O)C

Isomeric SMILES

CCC1=C(OC2=CC=CC=C21)/C(=C/C(=O)O)/C

InChI

InChI=1S/C14H14O3/c1-3-10-11-6-4-5-7-12(11)17-14(10)9(2)8-13(15)16/h4-8H,3H2,1-2H3,(H,15,16)/b9-8+